3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane

C60H161ClO44Si32 — CID 157156303

About 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane

3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane (PubChem CID 157156303) has the molecular formula C60H161ClO44Si32 and a molecular weight of 2521.11 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane
• PubChem CID: 157156303
• Molecular Formula: C60H161ClO44Si32
• Molecular Weight: 2521.11 g/mol
• Exact Mass: 2516.27
• IUPAC Name: 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane
• SMILES: C=C(C)C(=O)OCCC[Si](C)(C)Cl.C=C(C)C(=O)OCCC[Si](C)(C)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2.C[Si](C)(C)O[Si]12O[Si]3(O)O[Si]4(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O1)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O2)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O4)O1
• InChI: InChI=1S/C30H80O22Si16.C21H64O20Si15.C9H17ClO2Si/c1-29(2)30(31)32-27-26-28-60(24,25)40-68-50-65(37-57(15,16)17)44-62(34-54(6,7)8)41-61(33-53(3,4)5)42-63(46-65,35-55(9,10)11)48-67(52-68,39-59(21,22)23)49-64(43-61,36-56(12,13)14)47-66(45-62,51-68)38-58(18,19)20;1-42(2,3)23-50-30-49(22)31-51(24-43(4,5)6)35-53(33-50,26-45(10,11)12)39-56(29-48(19,20)21)40-54(34-50,27-46(13,14)15)36-52(32-49,25-44(7,8)9)38-55(37-51,41-56)28-47(16,17)18;1-8(2)9(11)12-6-5-7-13(3,4)10/h1,26-28H2,2-25H3;22H,1-21H3;1,5-7H2,2-4H3
• InChIKey: ALVRDRMNHSCIKI-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 432.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 40
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2521.11
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane?

The IUPAC name of 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane (CID 157156303) is 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane.

What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane?

The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane is C=C(C)C(=O)OCCC[Si](C)(C)Cl.C=C(C)C(=O)OCCC[Si](C)(C)O[Si]12O[Si]3(O[Si](C)(C)C)O[Si]4(O[Si](C)(C)C)O[Si]5(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O5)O[Si](O[Si](C)(C)C)(O4)O1)O2.C[Si](C)(C)O[Si]12O[Si]3(O)O[Si]4(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O1)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O2)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O4)O1.

What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane?

The InChIKey is ALVRDRMNHSCIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H80O22Si16.C21H64O20Si15.C9H17ClO2Si/c1-29(2)30(31)32-27-26-28-60(24,25)40-68-50-65(37-57(15,16)17)44-62(34-54(6,7)8)41-61(33-53(3,4)5)42-63(46-65,35-55(9,10)11)48-67(52-68,39-59(21,22)23)49-64(43-61,36-56(12,13)14)47-66(45-62,51-68)38-58(18,19)20;1-42(2,3)23-50-30-49(22)31-51(24-43(4,5)6)35-53(33-50,26-45(10,11)12)39-56(29-48(19,20)21)40-54(34-50,27-46(13,14)15)36-52(32-49,25-44(7,8)9)38-55(37-51,41-56)28-47(16,17)18;1-8(2)9(11)12-6-5-7-13(3,4)10/h1,26-28H2,2-25H3;22H,1-21H3;1,5-7H2,2-4H3.

What are the key properties of 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane?

3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane has a molecular weight of 2521.11 g/mol, XLogP of 15.06, 40 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 157156303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).